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1443337-15-2 | 4-(4-Bromo-2,5-difluoro-phenoxy)butanenitrile
CAS No: 1443337-15-2 Catalog No: AG01FAEL MDL No:
Product Description
Catalog Number:
AG01FAEL
Chemical Name:
4-(4-Bromo-2,5-difluoro-phenoxy)butanenitrile
CAS Number:
1443337-15-2
Molecular Formula:
C10H8BrF2NO
Molecular Weight:
276.0774
IUPAC Name:
4-(4-bromo-2,5-difluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H8BrF2NO/c11-7-5-9(13)10(6-8(7)12)15-4-2-1-3-14/h5-6H,1-2,4H2
InChI Key:
IJJIHNWMGBYTCU-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(cc1OCCCC#N)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.081g/mol
Monoisotopic Mass:
274.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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